Details of the Drug

General Information of Drug (ID: DMGWQVT)

• Drug Name: PMID26924192-Compound-55
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 528.7
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C26H36N6O4S
  IUPAC Name: 3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzenesulfonamide
  Canonical SMILES: C[C@@H]1C(=O)N(C2=C(N1C3CCOCC3)N=C(C=C2)NC4=CC(=CC=C4)S(=O)(=O)NC5CCN(CC5)C)C
  InChI: InChI=1S/C26H36N6O4S/c1-18-26(33)31(3)23-7-8-24(28-25(23)32(18)21-11-15-36-16-12-21)27-20-5-4-6-22(17-20)37(34,35)29-19-9-13-30(2)14-10-19/h4-8,17-19,21,29H,9-16H2,1-3H3,(H,27,28)/t18-/m1/s1
  InChIKey: NYFZHTKDUXWZDU-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 87055858
  TTD ID: D0T9ZO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and extraterminal domain protein (BET)	TTE4BSY	NOUNIPROTAC	Inhibitor	[1]

References

• [1] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.